ethyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-pyrrolidin-1-ylsulfonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(1-pyrrolidinylsulfonyl)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-pyrrolidin-1-ylsulfonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-pyrrolidinosulfonylanilino)-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H22F3N3O4S MolecularWeight: 493.49869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O4S/c1-2-33-22(30)19-14-27-20-13-15(23(24,25)26)5-10-18(20)21(19)28-16-6-8-17(9-7-16)34(31,32)29-11-3-4-12-29/h5-10,13-14H,2-4,11-12H2,1H3,(H,27,28)